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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:48 UTC
Update Date2025-03-25 00:55:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210060
Frequency0.5
Structure
Chemical FormulaC10H14O8
Molecular Mass262.0689
SMILESCC(O)C(O)C1C=C(C(=O)O)CC(O)(C(=O)O)O1
InChI KeyVSZKYSDWKAPZEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • alpha-hydroxy acid
  • hydroxy acid
  • carboxylic acid derivative
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol